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Home > Aldehydes > 117620-53-8
117620-53-8 | 7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxaldehyde
CAS No: 117620-53-8 Catalog No: AG0077L8 MDL No:
Product Description
Catalog Number:
AG0077L8
Chemical Name:
7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxaldehyde
CAS Number:
117620-53-8
Molecular Formula:
C8H6O3
Molecular Weight:
150.1314
IUPAC Name:
7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbaldehyde
InChI:
InChI=1S/C8H6O3/c9-3-5-6(4-10)8-2-1-7(5)11-8/h1-4,7-8H
InChI Key:
RPOBPZUQXNSXAI-UHFFFAOYSA-N
SMILES:
O=CC1=C(C=O)C2OC1C=C2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.133g/mol
Monoisotopic Mass:
150.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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